N-benzyl-N~3~-[2,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-benzyl-N~3~-[2,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
N-benzyl-N~3~-[2,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-1389 |
| Compound Name: | N-benzyl-N~3~-[2,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | Cc1c(C(N2CCOCC2)=O)c(c(C)[nH]1)S(NCCC(NCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5918 |
| logD: | 0.591 |
| logSw: | -2.2127 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.654 |
| InChI Key: | IEOWFADITZLTCT-UHFFFAOYSA-N |